2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine

C13H17NO3 — CID 43174749

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
SMILESCC1COC(c2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C13H17NO3/c1-9-8-17-13(7-14-9)10-2-3-11-12(6-10)16-5-4-15-11/h2-3,6,9,13-14H,4-5,7-8H2,1H3
InChIKeyVCYZLLDYPHQWCJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.51
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine (PubChem CID 43174749) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
PubChem CID43174749
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
SMILESCC1COC(c2ccc3c(c2)OCCO3)CN1
InChIInChI=1S/C13H17NO3/c1-9-8-17-13(7-14-9)10-2-3-11-12(6-10)16-5-4-15-11/h2-3,6,9,13-14H,4-5,7-8H2,1H3
InChIKeyVCYZLLDYPHQWCJ-UHFFFAOYSA-N
XLogP1.51
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-oxazepane
CID 83188382
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylpropyl)morpholine
CID 61251441
5-methyl-2-naphthalen-2-ylmorpholine
CID 43367075
5-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-oxazepane
CID 106352847
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
2-(3-bromo-4-fluorophenyl)-5-methylmorpholine
CID 62913908
(2S,5S)-5-methyl-2-(3-methylphenyl)morpholine
CID 39238398
5-methyl-2-(4-propan-2-ylphenyl)morpholine
CID 43174769
2-(3,5-difluorophenyl)-5-methylmorpholine
CID 78021784
5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 43367137
(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
CID 134607229
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 82291102

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine (CID 43174749) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine is CC1COC(c2ccc3c(c2)OCCO3)CN1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
The InChIKey is VCYZLLDYPHQWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-8-17-13(7-14-9)10-2-3-11-12(6-10)16-5-4-15-11/h2-3,6,9,13-14H,4-5,7-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine has a molecular weight of 235.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine is sourced from PubChem (CID 43174749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).